4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene

C35H36 — CID 58246120

IUPAC4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene
SMILESC=C(CC1=CCC=C1C1=Cc2cc(CC3CCCCC3)ccc2C1)C1=CCC(=C)c2ccccc21
InChIInChI=1S/C35H36/c1-24-15-18-33(35-13-7-6-12-32(24)35)25(2)19-29-11-8-14-34(29)31-22-28-17-16-27(21-30(28)23-31)20-26-9-4-3-5-10-26/h6-7,11-14,16-18,21,23,26H,1-5,8-10,15,19-20,22H2
InChIKeyLYXLPRPNIHHSGV-UHFFFAOYSA-N
MW456.67 g/mol
LogP9.45
Rot. Bonds6

About 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene

4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene (PubChem CID 58246120) has the molecular formula C35H36 and a molecular weight of 456.67 g/mol. Its IUPAC name is 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene.

Molecular Properties

Compound Name4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene
PubChem CID58246120
Molecular FormulaC35H36
Molecular Weight456.67 g/mol
Exact Mass456.28
IUPAC Name4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene
SMILESC=C(CC1=CCC=C1C1=Cc2cc(CC3CCCCC3)ccc2C1)C1=CCC(=C)c2ccccc21
InChIInChI=1S/C35H36/c1-24-15-18-33(35-13-7-6-12-32(24)35)25(2)19-29-11-8-14-34(29)31-22-28-17-16-27(21-30(28)23-31)20-26-9-4-3-5-10-26/h6-7,11-14,16-18,21,23,26H,1-5,8-10,15,19-20,22H2
InChIKeyLYXLPRPNIHHSGV-UHFFFAOYSA-N
XLogP9.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.67
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene with MolForge

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Launch Full Analysis

Related Compounds

5-(cyclohexylmethyl)-2-[5-(2-methylidene-3-phenylbut-3-enyl)cyclopenta-1,4-dien-1-yl]-1H-indene
CID 58245893
2-[5-[2-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene
CID 58245998
2-[5-[2-(5-tert-butyl-3-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene
CID 58246070
2-[5-[2-(5-tert-butyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-5-(cyclohexylmethyl)-1H-indene
CID 58245963
2-[5-[2-(2,6-diethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
CID 58245995
2-[5-[2-(5-ethyl-2-methylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
CID 58246104
2-[5-[2-(2-methylcyclopenta-1,3-dien-1-yl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
CID 58246078
2-[5-[2-(2,3-dimethylphenyl)prop-2-enyl]cyclopenta-1,4-dien-1-yl]-1H-indene
CID 58246100
2-[3-(2-phenyl-1H-inden-5-yl)prop-1-en-2-yl]naphthalene
CID 147670045
4-[5-[2,4-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)cyclopenta-1,4-dien-1-yl]-2-methylidenehex-5-enyl]-1-methylidene-2H-naphthalene
CID 168858121
1,4-bis(cyclohexylmethyl)-2-methylbenzene
CID 154475769
1,3,5-tris(cyclohexylmethyl)benzene
CID 157164571

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene?
The IUPAC name of 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene (CID 58246120) is 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene.
What is the SMILES notation for 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene?
The canonical SMILES for 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene is C=C(CC1=CCC=C1C1=Cc2cc(CC3CCCCC3)ccc2C1)C1=CCC(=C)c2ccccc21.
What is the InChIKey of 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene?
The InChIKey is LYXLPRPNIHHSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36/c1-24-15-18-33(35-13-7-6-12-32(24)35)25(2)19-29-11-8-14-34(29)31-22-28-17-16-27(21-30(28)23-31)20-26-9-4-3-5-10-26/h6-7,11-14,16-18,21,23,26H,1-5,8-10,15,19-20,22H2.
What are the key properties of 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene?
4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene has a molecular weight of 456.67 g/mol, XLogP of 9.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-[5-(cyclohexylmethyl)-1H-inden-2-yl]cyclopenta-1,4-dien-1-yl]prop-1-en-2-yl]-1-methylidene-2H-naphthalene is sourced from PubChem (CID 58246120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).